Welcome to basicrta’s documentation!

basicrtakit is a package to analyze binding kinetics in molecular dynamics simulations. The analysis uses an exponential mixture model and Bayesian nonparametric inference to determine time-scales of the underlying binding processes. The output is processed to give frames belonging to a given process with an associated time-scale, which can be further analyzed.

Contents:

• Getting Started
• API Documentation
  • basicrta.gibbs.Gibbs
    • Gibbs

basicrta A package to extract binding kinetics from molecular dynamics simulations

basicrta.version(distribution_name)

Get the version string for the named package.

Parameters:

distribution_name – The name of the distribution package to query.

Returns:

The version string for the package as defined in the package’s “Version” metadata key.

Indices and tables

• Index

• Module Index

• Search Page